SCHEMBL7958910

SCHEMBL7958910

CN(C)CCOCc1cc(Br)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.40
TAAR1 Q96RJ0 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
SLC6A4 P31645 4/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
PYCR1 P32322 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR7 P34969 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7959048 0.91 CYP1A2 (0.39) CCR5TAAR1KDM4EALDH1A1LMNA
SCHEMBL7959259 0.90 KDM4E (0.43) CCR5TAAR1KDM4EALDH1A1LMNA
SCHEMBL7959344 0.88 KDM4E (0.42) CCR5TAAR1KDM4EALDH1A1LMNA
SCHEMBL28371996 0.81 USP28 (0.40) CCR5ALDH1A1PYCR1
SCHEMBL7959537 0.81 SLC6A4 (0.36) CCR5KDM4EALDH1A1SLC6A4PYCR1
SCHEMBL7957090 0.78 SLC6A4 (0.39) CCR5TAAR1ALDH1A1LMNASLC6A4
SCHEMBL7958892 0.78 SLC6A4 (0.43) KDM4EALDH1A1LMNASLC6A4SMN1; SMN2
SCHEMBL901998 0.78 HTR7 (0.37) TAAR1KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL7963460 0.77 SMN1; SMN2 (0.40) ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL7963068 0.76 USP28 (0.34) CCR5ALDH1A1LMNASLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6245761-B1 NERVOUS SYSTEM, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY 2001-06-12 US disclosed
EP-0789688-A4 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-11-19 EP disclosed
EP-0789688-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-08-20 EP disclosed
WO-1997009308-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-03-13 WO disclosed